Desmethyl Tacrolimus
Impurity
This molecule is a impurity of Tacrolimus.
Technical Data
Cat. No.ANT-TRC-06
CAS132172-14-6
Mol. FormulaC43H67NO12
Mol. Weight790 g/mol
IUPAC(18Z)-1,14,24-trihydroxy-12-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23-methoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[23.2.1.04,9]octacos-18-ene-2,3,10,16-tetrone
SMILESCC1CC(C(C2CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(/C=C(\C1)/C)CC=C)O)C)/C(=C/C4CCC(C(C4)OC)O)/C)O)C)O)OC
InChIInChI=1S/C43H67NO12/c1-9-12-30-18-24(2)17-25(3)19-36(54-8)38(48)37-21-27(5)43(52,56-37)40(49)41(50)44-16-11-10-13-31(44)42(51)55-39(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)53-7/h9,18,20,25,27-33,35-39,45-46,48,52H,1,10-17,19,21-23H2,2-8H3/b24-18-,26-20+
InChI KeyOKRZOXIQNKYTBL-KNLBXDFQSA-N
Description
Overview
Desmethyl Tacrolimus, Tacrolimus, 132172-14-6, (18Z)-1,14,24-trihydroxy-12-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23-methoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[23.2.1.04,9]octacos-18-ene-2,3,10,16-tetrone
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Synonyms
(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxy cyclo hexyl] prop-1-en-2-yl]-23,25-dimethoxy-13,21,27-trimethyl -17-prop-2-enyl-11,28-dioxa-4-aza tricyclo [22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone132172-14-6L-683519L 683519RefChem:151678Desmethyl Tacrolimus13-Desmethyl FK 506ID15872316,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,21H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,15,19-trihydroxy-3-(2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl)-14-methoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-, (3S-(3R*(E(1S*,3S*,4S*)),4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*))-
